tert-butyl 3-oxidanylidene-7-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-4-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-7-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-4-carboxylate Openeye Name: tert-butyl 3-oxo-7-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-4-carboxylate CAS Name: 3-oxo-7-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-7-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-4-carboxylate Traditional Name: 3-keto-7-[4-(trifluoromethyl)phenyl]-1,4-benzothiazine-4-carboxylic acid tert-butyl ester Formula: C20H18F3NO3S MolecularWeight: 409.42203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)CSC2=C1C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)CSC2=C1C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3NO3S/c1-19(2,3)27-18(26)24-15-9-6-13(10-16(15)28-11-17(24)25)12-4-7-14(8-5-12)20(21,22)23/h4-10H,11H2,1-3H3